9-Phenanthracenylboronic acid

HCID 11775704

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Grundinformationen

CAS: 68572-87-2
Standard-SMILES: OB(O)c1cc2ccccc2c2ccccc12
InChIKey: JCDAUYWOHOLVMH-UHFFFAOYSA-N
Summenformel: C14H11BO2
Durchschnittliche Molmasse: 222,05 g/mol
Monoisotopische Masse: 222,08520999

Namen und Bezeichner

Bevorzugter Name: 9-Phenanthracenylboronic acid
IUPAC: phenanthren-9-ylboronic acid
Englischer Name: 9-phenanthrenylboronic acid
Summenformel: C14H11BO2
Molmasse: 222.05

Namen und Synonyme

9-Phenanthracenylboronic acidRefChem:549878627-783-79-Phenanthreneboronic Acid68572-87-2Phenanthren-9-ylboronic AcidPhenanthrene-9-boronic acidMFCD00143524PHENANTHRACENE-9-BORONIC ACID9-phenanthrenylboronic acid9-phenanthrene boronic acidCHEMBL140467

Weitere Namen anzeigen

9-Phenanthrene9- phenoborate9-Phenylenic acidRARECHEM AH PB 00569-Phenanthracenylbor9-Phenanthrene boronicPhenanthreneboronicacid

9-Phenanthreneboronicacid9-phenanthrylboronic acid9-Phenanthreneboronic Acid (contains varying amounts of Anhydride)Boronic acid, 9-phenanthrenyl-(phenanthren-9-yl)boronic acid9-BAPA9-PhenanthracenylboronicacidSCHEMBL368234

Datenbank-Bezeichner

CAS: 68572-87-2
PubChem CID: 11775704
DTXSID: DTXSID80472347
ChEMBL: CHEMBL140467
EC Number: 627-783-7
Nikkaji: J261.080I

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 40,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 17
Formalladung: 0
Komplexität: 269

Physikochemische Eigenschaften

Schmelzpunkt: 165 · 165-170 °C
Siedepunkt: 479.5 · 479.5±28.0 °C(Predicted)
Dichte: 1.26 · 1.26±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Soluble in DMSO.
pka: 8.53 · 8.53±0.30(Predicted)
Aggregatzustand: Solid
Farbe: Pale Yellow
InChI: InChI=1S/C14H11BO2/c16-15(17)14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9,16-17H
InChIKey: JCDAUYWOHOLVMH-UHFFFAOYSA-N
SMILES: B(C1=CC2C(C3C1=CC=CC=3)=CC=CC=2)(O)O
CAS Datenbank: 68572 · 68572-87-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29319090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 22-24/25-26
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden9-Phenanthracenylboronic acid is used as an fluorescent analytical reagent in sensing systems for glucose-specific detection and in suzuki reaction.